Beta-boswellic acid

C₃₀H₄₈O₃CAS 631-69-6456.71 g/mol

Open in Covalent MOL file

Alcohol Alkene Carboxylic acid

Properties

Molecular formula: C₃₀H₄₈O₃
Molar mass: 456.71 g/mol
Exact mass: 456.3603 Da
Melting point: 238 °C
logP: 7.09Crippen estimate
Polar surface area: 57.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1
Stereocentres: S, R, R, S, R, R, R, R, R, R, Rin SMILES atom order

Identifiers

CAS number

631-69-6

SMILES

C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(C(=O)O)[C@@H]5CC[C@]43C)[C@H]12

InChIKey

NBGQZFQREPIKMG-PONOSELZSA-N

InChI

InChI=1S/C30H48O3/c1-18-10-13-26(3)16-17-28(5)20(24(26)19(18)2)8-9-21-27(4)14-12-23(31)30(7,25(32)33)22(27)11-15-29(21,28)6/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21-,22-,23-,24+,26-,27-,28-,29-,30-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names

Urs-12-en-23-oic acid, 3-hydroxy-, (3α,4β)-
Urs-12-en-24-oic acid, 3α-hydroxy-
β-Boswellic acid
(3α,4β)-3-Hydroxyurs-12-en-23-oic acid
3α-Hydroxyurs-12-en-24-oic acid

Work with Beta-boswellic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

11-Keto-β-boswellic acid17019-92-078 % similar Acetyl-β-boswellic acid5968-70-777 % similar Amyrin638-95-974 % similar Acetyl-11-keto-β-boswellic acid67416-61-960 % similar Roburic acid6812-81-359 % similar Ursonic acid6246-46-458 % similar Corosolic acid4547-24-456 % similar 3-O-Acetylursolic acid7372-30-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Nandrolone laurate26490-31-3 Alpha-boswellic acid471-66-9 Betulinic acid472-15-1 Oleanolic acid508-02-1 Testosterone undecylate5949-44-0 Ursolic acid77-52-1

Elsewhere

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